N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

C33H41N3O3 — CID 10324628

IUPACN-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
InChIKeyINMZLZRTJQLJQQ-UHFFFAOYSA-N
MW527.71 g/mol
LogP5.21
Rot. Bonds10

About N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide

N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (PubChem CID 10324628) has the molecular formula C33H41N3O3 and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
PubChem CID10324628
Molecular FormulaC33H41N3O3
Molecular Weight527.71 g/mol
Exact Mass527.31
IUPAC NameN-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
InChIKeyINMZLZRTJQLJQQ-UHFFFAOYSA-N
XLogP5.21
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide (CID 10324628) is N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)C)cc1C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
The InChIKey is INMZLZRTJQLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37).
What are the key properties of N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide?
N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide has a molecular weight of 527.71 g/mol, XLogP of 5.21, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 10324628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).